1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine

C11H17N3O2 — CID 67655342

IUPAC1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine
SMILESCN(C)NCCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H17N3O2/c1-13(2)12-9-3-4-10-5-7-11(8-6-10)14(15)16/h5-8,12H,3-4,9H2,1-2H3
InChIKeyCZIPDQVZHFEEII-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.59
Rot. Bonds6

About 1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine

1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine (PubChem CID 67655342) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine.

Molecular Properties

Compound Name1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine
PubChem CID67655342
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine
SMILESCN(C)NCCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H17N3O2/c1-13(2)12-9-3-4-10-5-7-11(8-6-10)14(15)16/h5-8,12H,3-4,9H2,1-2H3
InChIKeyCZIPDQVZHFEEII-UHFFFAOYSA-N
XLogP1.59
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-nitrophenyl)propyl]acetamide
CID 58774168
2-methyl-N-[3-(4-nitrophenyl)propyl]propan-1-amine
CID 62549184
1-[4-(dimethylsulfamoylamino)butyl]-4-nitrobenzene
CID 56794321
N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride
CID 173432321
N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine
CID 142452006
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
2-methyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61219672
4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline
CID 133454506
3,3-dimethyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61221202
3-methylsulfinyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine
CID 113487445
5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine
CID 115325808
ethane;1-nitro-4-propylbenzene
CID 123575523

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine?
The IUPAC name of 1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine (CID 67655342) is 1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine.
What is the SMILES notation for 1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine?
The canonical SMILES for 1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine is CN(C)NCCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine?
The InChIKey is CZIPDQVZHFEEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13(2)12-9-3-4-10-5-7-11(8-6-10)14(15)16/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine?
1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine has a molecular weight of 223.28 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine is sourced from PubChem (CID 67655342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).